SCHEMBL28024050

SCHEMBL28024050

Cc1cc(C(=O)c2ccccc2)ccc1OCc1c(C)cccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SRD5A2 P31213 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28821202 0.90 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRG
SCHEMBL28024063 0.88 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGCYP2C9
SCHEMBL28024548 0.88 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRG
SCHEMBL28024039 0.87 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGTSHR
SCHEMBL28024078 0.85 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRG
SCHEMBL28024044 0.85 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGCYP2C9
SCHEMBL28016556 0.85 THRA (0.45) MRGPRX4
SCHEMBL28016544 0.84 MAPT (0.41) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL28024500 0.82 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1APPARAALDH1A1
SCHEMBL28097588 0.82 MRGPRX4 (0.39) MRGPRX4KDM4ECYP2C9HIF1APPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed